SCHEMBL20873370

SCHEMBL20873370

C#CCSc1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.50
POLB P06746 2/20 0.49
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
ALPG P10696 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PYCR1 P32322 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
CYP2D6 P10635 1/20 0.38
GAA P10253 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KDM1A O60341 2/20 0.36
FBP1 P09467 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2952763 0.81 GRM5 (0.50) GRM5POLBMAPTTDP1ALPG
SCHEMBL6815167 0.81 GRM5 (0.50) GRM5POLBMAPTTP53TDP1
SCHEMBL30753710 0.77 ALDH1A1 (0.50) GRM5POLBMAPTTDP1ALPG
SCHEMBL28364062 0.77 TDP1 (0.45) GRM5POLBMAPTTDP1ALPG
SCHEMBL5177798 0.77 ACHE (0.41) GRM5POLBMAPTTP53L3MBTL1
SCHEMBL711648 0.75 GRM5 (0.47) GRM5POLBMAPTTDP1ALPG
SCHEMBL29993511 0.75 GRM5 (0.47) GRM5POLBMAPTTDP1ALPG
SCHEMBL11841971 0.75 TDP1 (0.44) GRM5POLBMAPTTDP1ALPG
SCHEMBL10959400 0.75 CA12 (0.53) POLBMAPTTP53L3MBTL1PYCR1
SCHEMBL726899 0.74 ALDH1A1 (0.52) GRM5MAPTTP53L3MBTL1CA12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563056-B Triazoles for modulating intracellular calcium homeostasis 巴斯克大学 2022-08-16 CN disclosed
US-11377427-B2 Triazoles for regulating intracellular calcium homeostasis UNIVERSIDAD DEL PAIS VASCO (ES) 2022-07-05 US disclosed
EP-3466933-B1 TRIAZOLES FOR REGULATING INTRACELLULAR CALCIUM HOMEOSTASIS UNIV DEL PAIS VASCO/EUSKAL HERRIKO UNIBERTSITATEA (ES) 2020-12-02 EP disclosed
US-20200317625-A1 TRIAZOLES FOR REGULATING INTRACELLULAR CALCIUM HOMEOSTASIS UNIVERSIDAD DEL PAIS VASCO (ES) 2020-10-08 US disclosed
EP-3466933-A1 TRIAZOLES FOR REGULATING INTRACELLULAR CALCIUM HOMEOSTASIS Universidad del Pais Vasco (ES) 2019-04-10 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11377427-B2 Triazoles for regulating intracellular calcium homeostasis RYR1, ATP2A3, RYR2 GRM5 786/4885POLB 4843/4885MAPT 1079/4885
US-20200317625-A1 TRIAZOLES FOR REGULATING INTRACELLULAR CALCIUM HOMEOSTASIS RYR1, ATP2A3, RYR2 GRM5 786/4885POLB 4843/4885MAPT 1079/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.